5-methyl-4-[(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-[(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-[(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(4-nitrophenyl)methyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(4-nitrobenzyl)-2-phenyl-2-pyrazolin-3-one Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3/c1-12-16(11-13-7-9-15(10-8-13)20(22)23)17(21)19(18-12)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3